Electrical contact property and control effects for stable T(H)-TaS/CB metal-semiconductor heterojunctions
Metal-semiconductor heterojunctions are the basis for developing new electronic devices. Here, T(H)-TaS 2 /C 3 B metal-semiconductor heterostructures are constructed by different phase T- and H-TaS 2 monolayers combined with the C 3 B monolayer. The calculated corrected binding energies, phonon band...
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Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2024-09, Vol.26 (35), p.22968-22981 |
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creator | Cao, Shengguo Li, Zhanhai Han, Jianing Zhang, Zhenhua |
description | Metal-semiconductor heterojunctions are the basis for developing new electronic devices. Here, T(H)-TaS
2
/C
3
B metal-semiconductor heterostructures are constructed by different phase T- and H-TaS
2
monolayers combined with the C
3
B monolayer. The calculated corrected binding energies, phonon band structures, elastic constants, and molecular dynamics simulations indicated that both heterojunctions are highly stable, meaning that T(H)-TaS
2
/C
3
B heterojunctions possibly exist in experiments. The electronic property calculations showed that the intrinsic T(H)-TaS
2
/C
3
B heterojunction is an n(p)-type Schottky contact with a low Schottky barrier height (SBH), which is very important for the design of high-performance field-effect transistors. The electronic properties of the T(H)-TaS
2
/C
3
B heterojunctions can be controlled by varying the vertical strain and external electric field; however, the strain only resulted in a small change in the heterojunction SBH. Nevertheless, under external electrical field control, the T-TaS
2
/C
3
B heterojunction could manage a transition from an n-type Schottky contact to an n-type Ohmic contact and the H-TaS
2
/C
3
B heterojunction could be altered from a p-type Schottky contact to a p-type Ohmic contact. These findings provide theoretical insights into the electronic and electrical contact properties of the T(H)-TaS
2
/C
3
B heterojunction, which could be beneficial for developing n-type MOS and p-type MOS transistors.
T(H)-TaS
2
/C
3
B metal-semiconductor heterostructures are constructed by different-phase T(H)-TaS
2
monolayers combined with C
3
B monolayer, and their geometry, electronic structure, electrical contact properties, and control effects are studied deeply. |
doi_str_mv | 10.1039/d4cp02283a |
format | Article |
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2
/C
3
B metal-semiconductor heterostructures are constructed by different phase T- and H-TaS
2
monolayers combined with the C
3
B monolayer. The calculated corrected binding energies, phonon band structures, elastic constants, and molecular dynamics simulations indicated that both heterojunctions are highly stable, meaning that T(H)-TaS
2
/C
3
B heterojunctions possibly exist in experiments. The electronic property calculations showed that the intrinsic T(H)-TaS
2
/C
3
B heterojunction is an n(p)-type Schottky contact with a low Schottky barrier height (SBH), which is very important for the design of high-performance field-effect transistors. The electronic properties of the T(H)-TaS
2
/C
3
B heterojunctions can be controlled by varying the vertical strain and external electric field; however, the strain only resulted in a small change in the heterojunction SBH. Nevertheless, under external electrical field control, the T-TaS
2
/C
3
B heterojunction could manage a transition from an n-type Schottky contact to an n-type Ohmic contact and the H-TaS
2
/C
3
B heterojunction could be altered from a p-type Schottky contact to a p-type Ohmic contact. These findings provide theoretical insights into the electronic and electrical contact properties of the T(H)-TaS
2
/C
3
B heterojunction, which could be beneficial for developing n-type MOS and p-type MOS transistors.
T(H)-TaS
2
/C
3
B metal-semiconductor heterostructures are constructed by different-phase T(H)-TaS
2
monolayers combined with C
3
B monolayer, and their geometry, electronic structure, electrical contact properties, and control effects are studied deeply.</description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/d4cp02283a</identifier><ispartof>Physical chemistry chemical physics : PCCP, 2024-09, Vol.26 (35), p.22968-22981</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Cao, Shengguo</creatorcontrib><creatorcontrib>Li, Zhanhai</creatorcontrib><creatorcontrib>Han, Jianing</creatorcontrib><creatorcontrib>Zhang, Zhenhua</creatorcontrib><title>Electrical contact property and control effects for stable T(H)-TaS/CB metal-semiconductor heterojunctions</title><title>Physical chemistry chemical physics : PCCP</title><description>Metal-semiconductor heterojunctions are the basis for developing new electronic devices. Here, T(H)-TaS
2
/C
3
B metal-semiconductor heterostructures are constructed by different phase T- and H-TaS
2
monolayers combined with the C
3
B monolayer. The calculated corrected binding energies, phonon band structures, elastic constants, and molecular dynamics simulations indicated that both heterojunctions are highly stable, meaning that T(H)-TaS
2
/C
3
B heterojunctions possibly exist in experiments. The electronic property calculations showed that the intrinsic T(H)-TaS
2
/C
3
B heterojunction is an n(p)-type Schottky contact with a low Schottky barrier height (SBH), which is very important for the design of high-performance field-effect transistors. The electronic properties of the T(H)-TaS
2
/C
3
B heterojunctions can be controlled by varying the vertical strain and external electric field; however, the strain only resulted in a small change in the heterojunction SBH. Nevertheless, under external electrical field control, the T-TaS
2
/C
3
B heterojunction could manage a transition from an n-type Schottky contact to an n-type Ohmic contact and the H-TaS
2
/C
3
B heterojunction could be altered from a p-type Schottky contact to a p-type Ohmic contact. These findings provide theoretical insights into the electronic and electrical contact properties of the T(H)-TaS
2
/C
3
B heterojunction, which could be beneficial for developing n-type MOS and p-type MOS transistors.
T(H)-TaS
2
/C
3
B metal-semiconductor heterostructures are constructed by different-phase T(H)-TaS
2
monolayers combined with C
3
B monolayer, and their geometry, electronic structure, electrical contact properties, and control effects are studied deeply.</description><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><sourceid/><recordid>eNqFj70LwjAUxIMo-Lm4Cxl1qCamfq2K4m53eaav2JI25eU5-N9bRHR0uuPud8MJMdZqrpXZLdLY1mq53BpoiZ6O1ybaqW3c_vrNuiv6IRRKKb3SpieKo0PLlFtw0vqKwbKsyddI_JRQpe-QvJOYZQ0YZOZJBoabQ5lMz7MogcvisJclMrgoYJk3g_RhucHuyEi-eFSWc1-Foehk4AKOPjoQk9MxOZwjCvZaU14CPa-_A-Zf_wK1KUqQ</recordid><startdate>20240911</startdate><enddate>20240911</enddate><creator>Cao, Shengguo</creator><creator>Li, Zhanhai</creator><creator>Han, Jianing</creator><creator>Zhang, Zhenhua</creator><scope/></search><sort><creationdate>20240911</creationdate><title>Electrical contact property and control effects for stable T(H)-TaS/CB metal-semiconductor heterojunctions</title><author>Cao, Shengguo ; Li, Zhanhai ; Han, Jianing ; Zhang, Zhenhua</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-rsc_primary_d4cp02283a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><creationdate>2024</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Cao, Shengguo</creatorcontrib><creatorcontrib>Li, Zhanhai</creatorcontrib><creatorcontrib>Han, Jianing</creatorcontrib><creatorcontrib>Zhang, Zhenhua</creatorcontrib><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Cao, Shengguo</au><au>Li, Zhanhai</au><au>Han, Jianing</au><au>Zhang, Zhenhua</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electrical contact property and control effects for stable T(H)-TaS/CB metal-semiconductor heterojunctions</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><date>2024-09-11</date><risdate>2024</risdate><volume>26</volume><issue>35</issue><spage>22968</spage><epage>22981</epage><pages>22968-22981</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract>Metal-semiconductor heterojunctions are the basis for developing new electronic devices. Here, T(H)-TaS
2
/C
3
B metal-semiconductor heterostructures are constructed by different phase T- and H-TaS
2
monolayers combined with the C
3
B monolayer. The calculated corrected binding energies, phonon band structures, elastic constants, and molecular dynamics simulations indicated that both heterojunctions are highly stable, meaning that T(H)-TaS
2
/C
3
B heterojunctions possibly exist in experiments. The electronic property calculations showed that the intrinsic T(H)-TaS
2
/C
3
B heterojunction is an n(p)-type Schottky contact with a low Schottky barrier height (SBH), which is very important for the design of high-performance field-effect transistors. The electronic properties of the T(H)-TaS
2
/C
3
B heterojunctions can be controlled by varying the vertical strain and external electric field; however, the strain only resulted in a small change in the heterojunction SBH. Nevertheless, under external electrical field control, the T-TaS
2
/C
3
B heterojunction could manage a transition from an n-type Schottky contact to an n-type Ohmic contact and the H-TaS
2
/C
3
B heterojunction could be altered from a p-type Schottky contact to a p-type Ohmic contact. These findings provide theoretical insights into the electronic and electrical contact properties of the T(H)-TaS
2
/C
3
B heterojunction, which could be beneficial for developing n-type MOS and p-type MOS transistors.
T(H)-TaS
2
/C
3
B metal-semiconductor heterostructures are constructed by different-phase T(H)-TaS
2
monolayers combined with C
3
B monolayer, and their geometry, electronic structure, electrical contact properties, and control effects are studied deeply.</abstract><doi>10.1039/d4cp02283a</doi><tpages>14</tpages></addata></record> |
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ispartof | Physical chemistry chemical physics : PCCP, 2024-09, Vol.26 (35), p.22968-22981 |
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source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
title | Electrical contact property and control effects for stable T(H)-TaS/CB metal-semiconductor heterojunctions |
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